N-[3-[(3-hydroxy-4-methylphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(1H-indol-3-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C72H77N15O10S4 — CID 158621877

About N-[3-[(3-hydroxy-4-methylphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(1H-indol-3-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-[3-[(3-hydroxy-4-methylphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(1H-indol-3-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 158621877) has the molecular formula C72H77N15O10S4 and a molecular weight of 1440.77 g/mol. Its IUPAC name is N-[3-[(3-hydroxy-4-methylphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(1H-indol-3-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(3-hydroxy-4-methylphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(1H-indol-3-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
• PubChem CID: 158621877
• Molecular Formula: C72H77N15O10S4
• Molecular Weight: 1440.77 g/mol
• Exact Mass: 1439.49
• IUPAC Name: N-[3-[(3-hydroxy-4-methylphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(1H-indol-3-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
• SMILES: Cc1ccc(CNCCCNC(=O)c2cc(-c3cccs3)on2)cc1O.Cc1ccc(NCCCNC(=O)c2cc(-c3cccs3)on2)nc1.Cc1ncc(CNCCCNC(=O)c2cc(-c3cccs3)on2)o1.O=C(NCCCNCc1c[nH]c2ccccc12)c1cc(-c2cccs2)on1
• InChI: InChI=1S/C20H20N4O2S.C19H21N3O3S.C17H18N4O2S.C16H18N4O3S/c25-20(17-11-18(26-24-17)19-7-3-10-27-19)22-9-4-8-21-12-14-13-23-16-6-2-1-5-15(14)16;1-13-5-6-14(10-16(13)23)12-20-7-3-8-21-19(24)15-11-17(25-22-15)18-4-2-9-26-18;1-12-5-6-16(20-11-12)18-7-3-8-19-17(22)13-10-14(23-21-13)15-4-2-9-24-15;1-11-19-10-12(22-11)9-17-5-3-6-18-16(21)13-8-14(23-20-13)15-4-2-7-24-15/h1-3,5-7,10-11,13,21,23H,4,8-9,12H2,(H,22,25);2,4-6,9-11,20,23H,3,7-8,12H2,1H3,(H,21,24);2,4-6,9-11H,3,7-8H2,1H3,(H,18,20)(H,19,22);2,4,7-8,10,17H,3,5-6,9H2,1H3,(H,18,21)
• InChIKey: HYCHBQLFVQNJCW-UHFFFAOYSA-N
• XLogP: 13.07
• TPSA: 343.58 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 31
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1440.77
LogP ≤ 5	13.07
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-hydroxy-4-methylphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(1H-indol-3-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[3-[(3-hydroxy-4-methylphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(1H-indol-3-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 158621877) is N-[3-[(3-hydroxy-4-methylphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(1H-indol-3-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[3-[(3-hydroxy-4-methylphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(1H-indol-3-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[3-[(3-hydroxy-4-methylphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(1H-indol-3-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is Cc1ccc(CNCCCNC(=O)c2cc(-c3cccs3)on2)cc1O.Cc1ccc(NCCCNC(=O)c2cc(-c3cccs3)on2)nc1.Cc1ncc(CNCCCNC(=O)c2cc(-c3cccs3)on2)o1.O=C(NCCCNCc1c[nH]c2ccccc12)c1cc(-c2cccs2)on1.

What is the InChIKey of N-[3-[(3-hydroxy-4-methylphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(1H-indol-3-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?

The InChIKey is HYCHBQLFVQNJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S.C19H21N3O3S.C17H18N4O2S.C16H18N4O3S/c25-20(17-11-18(26-24-17)19-7-3-10-27-19)22-9-4-8-21-12-14-13-23-16-6-2-1-5-15(14)16;1-13-5-6-14(10-16(13)23)12-20-7-3-8-21-19(24)15-11-17(25-22-15)18-4-2-9-26-18;1-12-5-6-16(20-11-12)18-7-3-8-19-17(22)13-10-14(23-21-13)15-4-2-9-24-15;1-11-19-10-12(22-11)9-17-5-3-6-18-16(21)13-8-14(23-20-13)15-4-2-7-24-15/h1-3,5-7,10-11,13,21,23H,4,8-9,12H2,(H,22,25);2,4-6,9-11,20,23H,3,7-8,12H2,1H3,(H,21,24);2,4-6,9-11H,3,7-8H2,1H3,(H,18,20)(H,19,22);2,4,7-8,10,17H,3,5-6,9H2,1H3,(H,18,21).

What are the key properties of N-[3-[(3-hydroxy-4-methylphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(1H-indol-3-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?

N-[3-[(3-hydroxy-4-methylphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(1H-indol-3-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 1440.77 g/mol, XLogP of 13.07, 31 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(3-hydroxy-4-methylphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(1H-indol-3-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 158621877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).